N-[(Z)-[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide

Formula:C18H14N3O3ClS Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide is a drug-like molecule.

MolNameN-[(Z)-[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide
MolecularFormulaC18H14N3O3ClS
SmilesOc(cc1)ccc1C(N1C(CCl)=O)=CS/C1=N\NC(c1ccccc1)=O
InChIInChI=1S/C18H14ClN3O3S/c19-10-16(24)22-15(12-6-8-14(23)9-7-12)11-26-18(22)21-20-17(25)13-4-2-1-3-5-13/h1-9,11,23H,10H2,(H,20,25)
InChIKQMTKWVONYDSUCY-UHFFFAOYSA-N
TotalMolweight387.846
Molweight387.846
MonoisotopicMass387.044439
CLogP3.8145
CLogS-4.627
H Acceptors6
H Donors2
TotalSurfaceArea277.48
Relative PSA0.29981
PolarSurfaceArea107.3
Druglikeness4.6071
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsacyl-hydrazone
Shape Index0.57692
Fragments1
Non HAtoms26
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms4
Amides1
StereoCon

Request More Details | N-[(Z)-[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments